1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol

C14H16ClN3O — CID 90643453

IUPAC1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(-c3ccccc3Cl)nn2)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-6-2-3-7-12(11)18-10-13(16-17-18)14(19)8-4-1-5-9-14/h2-3,6-7,10,19H,1,4-5,8-9H2
InChIKeyXLCWREKXAVBVRQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.07
Rot. Bonds2

About 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol

1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol (PubChem CID 90643453) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
PubChem CID90643453
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(-c3ccccc3Cl)nn2)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-6-2-3-7-12(11)18-10-13(16-17-18)14(19)8-4-1-5-9-14/h2-3,6-7,10,19H,1,4-5,8-9H2
InChIKeyXLCWREKXAVBVRQ-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol (CID 90643453) is 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol is OC1(c2cn(-c3ccccc3Cl)nn2)CCCCC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The InChIKey is XLCWREKXAVBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-6-2-3-7-12(11)18-10-13(16-17-18)14(19)8-4-1-5-9-14/h2-3,6-7,10,19H,1,4-5,8-9H2.
What are the key properties of 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol has a molecular weight of 277.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)triazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 90643453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).